Information card for entry 4038315

Structure parameters

• Formula: C17 H15 F2 N O
• Calculated formula: C17 H15 F2 N O
• Title of publication: One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.
• Authors of publication: Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.7435 ± 0.0016 Å
• b: 22.987 ± 0.003 Å
• c: 11.0387 ± 0.0018 Å
• α: 90°
• β: 113.721 ± 0.006°
• γ: 90°
• Cell volume: 2728.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No